Search results
- 1.0524557 - BFÚ 2021 RIV US eng J - Journal Article
Dohnalova, h. - Drsata, Tomáš - Šponer, Jiří - Zacharias, M. - Lipfert, J. - Lankas, F.
Compensatory Mechanisms in Temperature Dependence of DNA Double Helical Structure: Bending and Elongation.
Journal of Chemical Theory and Computation. Roč. 16, č. 4 (2020), s. 2857-2863. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA MŠMT EF15_003/0000477
Institutional support: RVO:68081707
Keywords : intrinsic flexibility * force-field * a-tracts * rna
OECD category: Physical chemistry
Impact factor: 6.006, year: 2020
Method of publishing: Limited access
https://pubs.acs.org/doi/10.1021/acs.jctc.0c00037
Permanent Link: http://hdl.handle.net/11104/0308899 - 2.0524285 - ÚFCH JH 2021 RIV US eng J - Journal Article
Apra, E. - Bylaska, E. J. - de Jong, W. A. - Govind, N. - Kowalski, K. - Straatsma, T. P. - Valiev, M. - van Dam, H. J. J. - Alexeev, Y. - Anchell, J. - Anisimov, V. - Aquino, F. W. - Atta-Fyn, R. - Autschbach, J. - Bauman, N. P. - Becca, J. C. - Bernholdt, D. E. - Bhaskaran-Neir, K. - Bogatko, S. - Borowski, P. - Boschen, J. - Brabec, Jiří - Bruner, A. - Cauët, E. - Chen, Y. - Chuev, G. N. - Cramer, C. J. - Daily, J. - Deegan, M. J. O. - Dunning, Jr., T. H. - Dupuis, M. - Dyall, K. G. - Fann, G. I. - Fischer, S. A. - Fonari, A. - Früchtl, H. - Gagliardi, L. - Garza, J. - Gawande, N. - Ghosh, S. - Glaesemann, K. - Götz, A. W. - Hammond, J. - Helms, V. - Hermes, E. D. - Hirao, K. - Hirata, S. - Jacquelin, M. - Jensen, L. - Johnson, B. G. - Jónsson, H. - Kendall, R. A. - Klemm, M. - Kobayashi, R. - Konkov, V. - Krishnamoorthy, S. - Krishnan, M. - Lin, Z. - Lins, R. D. - Littlefield, R. J. - Logsdail, A. J. - Lopata, K. - Ma, W. - Marenich, A. V. - del Campo, J. M. - Mejía-Rodríguez, D. - Moore, J. E. - Mullin, J. M. - Nakajima, T. - Nascimento, D. R. - Nichols, J. A. - Nichols, J. P. - Nieplocha, J. - Otero-de-la-Roza, A. - Palmer, B. - Panyala, A. - Pirojsirikul, T. - Peng, B. - Peverati, R. - Pittner, Jiří - Pollack, L. - Richard, R. M. - Sadayappan, P. - Schatz, G. C. - Shelton, W. A. - Silverstein, D. W. - Smith, D. M. A. - Soares, T. A. - Song, D. - Swart, M. - Taylor, H. L. - Thomas, G. S. - Tipparaju, V. - Truhlar, D. G. - Tsemekhman, K. - Van Voorhis, T. - Vázguez-Mayagoitia, Á. - Verma, P. - Villa, O. - Vishnu, A. - Vogiatzis, K. D. - Wang, D. - Weare, D. - Williamson, M. J. - Windus, T. L. - Woliński, K. - Wong, A. T. - Wu, Q. - Yang, C. - Zacharias, M. - Zhang, Z. - Zhao, Y. - Harrison, R. J.
NWChem: Past, present, and future.
Journal of Chemical Physics. Roč. 152, č. 18 (2020), č. článku 184102. ISSN 0021-9606. E-ISSN 1089-7690
Institutional support: RVO:61388955
Keywords : Quantum mechanical/molecular mechanical calculations * Excitation energies * Time dependent density functional theory
OECD category: Physical chemistry
Impact factor: 3.488, year: 2020
Method of publishing: Open access
Permanent Link: http://hdl.handle.net/11104/0308656File Download Size Commentary Version Access 0524285.pdf 2 3.5 MB open access Publisher’s postprint open-access - 3.0482700 - ÚOCHB 2018 RIV DE eng J - Journal Article
Greben, M. - Khoroshyy, Petro - Gutsch, S. - Hiller, D. - Zacharias, M. - Valenta, J.
Changes of the absorption cross section of Si nanocrystals with temperature and distance.
Beilstein Journal of Nanotechnology. Roč. 8, Nov 6 (2017), s. 2315-2323. ISSN 2190-4286. E-ISSN 2190-4286
Institutional support: RVO:61388963
Keywords : absorption cross section * average lifetime * nanocrystal distance * photoluminescence decay * silicon nanocrystals
OECD category: Physical chemistry
Impact factor: 2.968, year: 2017
https://www.beilstein-journals.org/bjnano/articles/8/231
Permanent Link: http://hdl.handle.net/11104/0278102 - 4.0474043 - FZÚ 2018 RIV US eng J - Journal Article
Pushkarev, Vladimir - Ostatnický, T. - Němec, Hynek - Chlouba, T. - Trojánek, F. - Malý, P. - Zacharias, M. - Gutsch, S. - Hiller, D. - Kužel, Petr
Quantum behavior of terahertz photoconductivity in silicon nanocrystals networks.
Physical Review B. Roč. 95, č. 12 (2017), s. 1-9, č. článku 125424. ISSN 2469-9950. E-ISSN 2469-9969
R&D Projects: GA ČR GA17-03662S
EU Projects: European Commission(XE) 607521 - NOTEDEV
Institutional support: RVO:68378271
Keywords : terahertz spectroscopy * charge transport * silicon nanocrystals * linear response theory
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.813, year: 2017
Permanent Link: http://hdl.handle.net/11104/0271142 - 5.0458392 - FZÚ 2017 RIV US eng J - Journal Article
Valenta, J. - Greben, M. - Remeš, Zdeněk - Gutsch, S. - Hiller, D. - Zacharias, M.
Determination of absorption cross-section of Si nanocrystals by two independent methods based on either absorption or luminescence.
Applied Physics Letters. Roč. 102, č. 2 (2016), 1-5, č. článku 023102. ISSN 0003-6951. E-ISSN 1077-3118
R&D Projects: GA ČR(CZ) GA14-05053S; GA MŠMT(CZ) LD14011
Institutional support: RVO:68378271
Keywords : photoluminescence * absorption spectroscopy * photothermal spectroscopy * semiconductors * nanocrystals
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 3.411, year: 2016
Permanent Link: http://hdl.handle.net/11104/0258656 - 6.0454236 - ÚOCHB 2016 RIV GB eng J - Journal Article
Liebl, K. - Dršata, Tomáš - Lankaš, Filip - Lipfert, J. - Zacharias, M.
Explaining the striking difference in twist-stretch coupling between DNA and RNA: A comparative molecular dynamics analysis.
Nucleic Acids Research. Roč. 43, č. 21 (2015), s. 10143-10156. ISSN 0305-1048. E-ISSN 1362-4962
R&D Projects: GA ČR(CZ) GA14-21893S
Institutional support: RVO:61388963
Keywords : double stranded RNA * B-DNA * nucleic acids
Subject RIV: BO - Biophysics
Impact factor: 9.202, year: 2015
http://nar.oxfordjournals.org/content/43/21/10143.full.pdf+html
Permanent Link: http://hdl.handle.net/11104/0254943 - 7.0448983 - FZÚ 2016 RIV US eng J - Journal Article
Němec, Hynek - Zajac, Vít - Kužel, Petr - Malý, P. - Gutsch, S. - Hiller, D. - Zacharias, M.
Charge transport in silicon nanocrystal superlattices in the terahertz regime.
Physical Review. B. Roč. 91, č. 19 (2015), "195443-1"-"195443-10". ISSN 1098-0121
R&D Projects: GA ČR GA13-12386S
Institutional support: RVO:68378271
Keywords : silicon nanocrystals * charge transport * terahertz spectroscopy
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 3.736, year: 2014
Permanent Link: http://hdl.handle.net/11104/0250579 - 8.0443118 - ÚOCHB 2016 RIV US eng J - Journal Article
Kara, M. - Dršata, Tomáš - Lankaš, Filip - Zacharias, M.
Effect O6-Guanine Alkylation on DNA Flexibility Studied by Comparative Molecular Dynamics Simulations.
Biopolymers. Roč. 103, č. 1 (2015), s. 23-32. ISSN 0006-3525. E-ISSN 1097-0282
R&D Projects: GA ČR(CZ) GA14-21893S
Institutional support: RVO:61388963
Keywords : DNA damage * DNA alkylation * DNA repair * molecular simulation * molecular dynamics simulation
Subject RIV: BO - Biophysics
Impact factor: 2.248, year: 2015
Permanent Link: http://hdl.handle.net/11104/0245895 - 9.0399993 - ÚOCHB 2014 RIV US eng J - Journal Article
Dršata, Tomáš - Kara, M. - Zacharias, M. - Lankaš, Filip
Effect of 8-Oxoguanine on DNA Structure and Deformability.
Journal of Physical Chemistry B. Roč. 117, č. 39 (2013), s. 11617-11622. ISSN 1520-6106. E-ISSN 1520-5207
Institutional support: RVO:61388963
Keywords : molecular-dynamics simulations * B-DNA * glycosylase MutM
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.377, year: 2013
Permanent Link: http://hdl.handle.net/11104/0227155 - 10.0331241 - BFÚ 2010 RIV US eng J - Journal Article
Curuksu, J. - Šponer, Jiří - Zacharias, M.
Elbow flexibility of the kt38 RNA kink-turn motif investigated by free-energy molecular dynamics simulations.
[Flexibilita kink turn motivu 38 studovaná molekulově dynamickými simulacemi.]
Biophysical Journal. Roč. 97, č. 7 (2009), s. 2004-2013. ISSN 0006-3495. E-ISSN 1542-0086
R&D Projects: GA AV ČR(CZ) IAA400040802
Grant - others:GA ČR(CZ) GA203/09/1476
Program: GA
Institutional research plan: CEZ:AV0Z50040507; CEZ:AV0Z50040702
Keywords : umbrella-sampling * molecular dynamics * A-minor interaction
Subject RIV: BO - Biophysics
Impact factor: 4.390, year: 2009
Permanent Link: http://hdl.handle.net/11104/0176812